<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2010-04-08 22:10:51 UTC</creation_date>
  <update_date>2025-11-19 00:29:10 UTC</update_date>
  <accession>FDB013684</accession>
  <name>Iron(II) lactate</name>
  <description>Nutrient supplement. May be used in infant formulas

Ferrous lactate, or iron(II) lactate, is a chemical compound consisting of one atom of iron (Fe2+) and two lactate anions. It has the chemical formula Fe(C3H5O3)2. It is used as a food additive with E number E585. It is an acidity regulator and colour retention agent, and is also used to fortify foods with iron.</description>
  <synonyms>
    <synonym>(S)-Bis(lactato-O1,O2)iron</synonym>
    <synonym>Ferro-Drops</synonym>
    <synonym>Ferrous lactate</synonym>
    <synonym>Iron dilactate</synonym>
    <synonym>Iron lactate?</synonym>
    <synonym>Iron(2+) 2-hydroxypropanoate, (2:1)</synonym>
    <synonym>Iron(2+) lactate</synonym>
    <synonym>Iron(2+) lactate, (2:1)</synonym>
    <synonym>Iron(II) 2-hydroxypropanoate</synonym>
    <synonym>Lactic acid, iron(2+) salt (2:1)</synonym>
    <synonym>Propanoic acid, 2-hydroxy-, iron(2+) salt (2:1)</synonym>
    <synonym>Propanoic acid, 2-hydroxy-, iron(2+) salt (2:1) (9CI)</synonym>
  </synonyms>
  <chemical_formula>C6H10FeO6</chemical_formula>
  <average_molecular_weight>233.985</average_molecular_weight>
  <monisotopic_moleculate_weight>233.982680185</monisotopic_moleculate_weight>
  <iupac_name>λ²-iron(2+) ion bis(2-hydroxypropanoate)</iupac_name>
  <traditional_iupac>λ²-iron(2+) ion dilactate</traditional_iupac>
  <cas_registry_number>5905-52-2</cas_registry_number>
  <smiles>[Fe++].CC(O)C([O-])=O.CC(O)C([O-])=O</smiles>
  <inchi>InChI=1S/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2</inchi>
  <inchikey>DKKCQDROTDCQOR-UHFFFAOYSA-L</inchikey>
  <taxonomy>
    <description> belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.</description>
    <direct_parent>Carboxylic acid salts</direct_parent>
    <kingdom>Organic compounds</kingdom>
    <super_class>Organic acids and derivatives</super_class>
    <class>Carboxylic acids and derivatives</class>
    <sub_class>Carboxylic acid derivatives</sub_class>
    <molecular_framework/>
    <alternative_parents>
      <alternative_parent>Carbonyl compounds</alternative_parent>
      <alternative_parent>Carboxylic acids</alternative_parent>
      <alternative_parent>Hydrocarbon derivatives</alternative_parent>
      <alternative_parent>Monocarboxylic acids and derivatives</alternative_parent>
      <alternative_parent>Organic oxides</alternative_parent>
      <alternative_parent>Organic transition metal salts</alternative_parent>
      <alternative_parent>Organic zwitterions</alternative_parent>
      <alternative_parent>Secondary alcohols</alternative_parent>
    </alternative_parents>
    <substituents>
      <substituent>Alcohol</substituent>
      <substituent>Aliphatic acyclic compound</substituent>
      <substituent>Carbonyl group</substituent>
      <substituent>Carboxylic acid</substituent>
      <substituent>Carboxylic acid salt</substituent>
      <substituent>Hydrocarbon derivative</substituent>
      <substituent>Monocarboxylic acid or derivatives</substituent>
      <substituent>Organic oxide</substituent>
      <substituent>Organic oxygen compound</substituent>
      <substituent>Organic salt</substituent>
      <substituent>Organic transition metal salt</substituent>
      <substituent>Organic zwitterion</substituent>
      <substituent>Organooxygen compound</substituent>
      <substituent>Secondary alcohol</substituent>
    </substituents>
    <external_descriptors>
      <external_descriptor>lactate salt</external_descriptor>
    </external_descriptors>
  </taxonomy>
  <state/>
  <predicted_properties>
    <property>
      <kind>logp</kind>
      <value>-0.42</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-0.15</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>1.65e+02 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
  </experimental_properties>
  <property>
    <kind>logp</kind>
    <value>-0.47</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_acidic</kind>
    <value>3.78</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>pka_strongest_basic</kind>
    <value>-3.7</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>iupac</kind>
    <value>λ²-iron(2+) ion bis(2-hydroxypropanoate)</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>average_mass</kind>
    <value>233.985</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>mono_mass</kind>
    <value>233.982680185</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>smiles</kind>
    <value>[Fe++].CC(O)C([O-])=O.CC(O)C([O-])=O</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formula</kind>
    <value>C6H10FeO6</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchi</kind>
    <value>InChI=1S/2C3H6O3.Fe/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);/q;;+2/p-2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>inchikey</kind>
    <value>DKKCQDROTDCQOR-UHFFFAOYSA-L</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polar_surface_area</kind>
    <value>60.36</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>refractivity</kind>
    <value>29.68</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>polarizability</kind>
    <value>7.65</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>rotatable_bond_count</kind>
    <value>2</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>acceptor_count</kind>
    <value>3</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>donor_count</kind>
    <value>1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>physiological_charge</kind>
    <value>-1</value>
    <source>ChemAxon</source>
  </property>
  <property>
    <kind>formal_charge</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
  <pathways>
  </pathways>
  <spectra>
  </spectra>
  <hmdb_id/>
  <pubchem_compound_id/>
  <chemspider_id/>
  <kegg_id/>
  <chebi_id/>
  <biocyc_id/>
  <het_id/>
  <wikipidia/>
  <vmh_id/>
  <fbonto_id/>
  <foodb_id/>
  <general_references>
  </general_references>
  <foods>
  </foods>
  <flavors>
  </flavors>
  <enzymes>
  </enzymes>
  <health_effects>
  </health_effects>
</compound>
